SCHEMBL5885547

SCHEMBL5885547

CC(CCn1cnc2ccc(S(=O)(=O)O)cc21)S(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
HTR6 P50406 1/20 0.35
APAF1 O14727 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
C1S P09871 1/20 0.35
EGLN3 Q9H6Z9 1/20 0.35
GGPS1 O95749 2/20 0.34
FDPS P14324 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA13 Q8N1Q1 1/20 0.34
ALDH1A1 P00352 3/20 0.33
POLB P06746 1/20 0.33
FABP4 P15090 1/20 0.33
MAPT P10636 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1627958 0.99 PTGDR (0.39) PTGDRMTNR1AMTNR1BHTR6APAF1
SCHEMBL5885232 0.90 ALDH1A1 (0.40) APAF1TDP1C1SEGLN3GGPS1
SCHEMBL5871804 0.89 ALDH1A1 (0.39) APAF1TDP1C1SEGLN3GGPS1
SCHEMBL6227705 0.75 DYRK1A (0.45) ALDH1A1POLBMAPTLMNAKMT2A
SCHEMBL28581018 0.73 TDP1 (0.53) APAF1TDP1EGLN3GGPS1FDPS
SCHEMBL3837069 0.72 HDAC1 (0.51) ALDH1A1MAPTLMNAKMT2A
SCHEMBL18250719 0.70 POLB (0.46) MTNR1AMTNR1BTDP1ALDH1A1POLB
SCHEMBL22155671 0.68 MCL1 (0.43) MTNR1AMTNR1BAPAF1TDP1EGLN3
SCHEMBL8656899 0.67 PRPS1 (0.44) MTNR1AMTNR1BTDP1POLBMAPT
SCHEMBL5339617 0.66 ALDH1A1 (0.51) ALDH1A1MAPTLMNAKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7040929-B2 Surfactants for use in substantially light-insensitive thermographic recording materials AGFA-GEVAERT (BE) 2006-05-09 US disclosed
US-20050053871-A1 Novel surfactants for use in substantially light-insensitive thermographic recording materials AGFA-GEVAERT N.V. (BE) 2005-03-10 US disclosed